2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one

C19H20N4O4 — CID 136738161

IUPAC2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one
SMILESO=C(C[C@H]1COCCN1C(=O)c1nc2ccccc2c(=O)[nH]1)N1CC=CC1
InChIInChI=1S/C19H20N4O4/c24-16(22-7-3-4-8-22)11-13-12-27-10-9-23(13)19(26)17-20-15-6-2-1-5-14(15)18(25)21-17/h1-6,13H,7-12H2,(H,20,21,25)/t13-/m0/s1
InChIKeyQSAZKFWUIYUHCP-ZDUSSCGKSA-N
MW368.39 g/mol
LogP0.55
Rot. Bonds3

About 2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one

2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one (PubChem CID 136738161) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one
PubChem CID136738161
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one
SMILESO=C(C[C@H]1COCCN1C(=O)c1nc2ccccc2c(=O)[nH]1)N1CC=CC1
InChIInChI=1S/C19H20N4O4/c24-16(22-7-3-4-8-22)11-13-12-27-10-9-23(13)19(26)17-20-15-6-2-1-5-14(15)18(25)21-17/h1-6,13H,7-12H2,(H,20,21,25)/t13-/m0/s1
InChIKeyQSAZKFWUIYUHCP-ZDUSSCGKSA-N
XLogP0.55
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one
CID 56894607
2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one
CID 165426925
2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135966308
6-[(3R)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 95868615
2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 167837886
2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one
CID 95895084
(1S,5R)-4-(4-oxo-3H-quinazoline-2-carbonyl)-12-oxa-4,8-diazatricyclo[6.4.0.01,5]dodecan-7-one
CID 155492859
formic acid;(1S,5R)-4-(4-oxo-3H-quinazoline-2-carbonyl)-12-oxa-4,8-diazatricyclo[6.4.0.01,5]dodecan-7-one
CID 155940429
8a-ethyl-7-(4-oxo-3H-quinazoline-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146046870
(1S,5R)-7-(4-oxo-3H-quinazoline-2-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155912818
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one
CID 136911292
2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 95711057

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one (CID 136738161) is 2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one is O=C(C[C@H]1COCCN1C(=O)c1nc2ccccc2c(=O)[nH]1)N1CC=CC1.
What is the InChIKey of 2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one?
The InChIKey is QSAZKFWUIYUHCP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-16(22-7-3-4-8-22)11-13-12-27-10-9-23(13)19(26)17-20-15-6-2-1-5-14(15)18(25)21-17/h1-6,13H,7-12H2,(H,20,21,25)/t13-/m0/s1.
What are the key properties of 2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one?
2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one has a molecular weight of 368.39 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136738161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).